CID 58450221

C6H3ClF3NOS — CID 58450221

IUPAC—
SMILES[CH]OC(c1cnc(Cl)s1)C(F)(F)F
InChIInChI=1S/C6H3ClF3NOS/c1-12-4(6(8,9)10)3-2-11-5(7)13-3/h1-2,4H
InChIKeyXEPWIEOPYCXYLI-UHFFFAOYSA-N
MW229.61 g/mol
LogP3.09
Rot. Bonds2

About CID 58450221

CID 58450221 (PubChem CID 58450221) has the molecular formula C6H3ClF3NOS and a molecular weight of 229.61 g/mol.

Molecular Properties

Compound NameCID 58450221
PubChem CID58450221
Molecular FormulaC6H3ClF3NOS
Molecular Weight229.61 g/mol
Exact Mass228.96
IUPAC Name—
SMILES[CH]OC(c1cnc(Cl)s1)C(F)(F)F
InChIInChI=1S/C6H3ClF3NOS/c1-12-4(6(8,9)10)3-2-11-5(7)13-3/h1-2,4H
InChIKeyXEPWIEOPYCXYLI-UHFFFAOYSA-N
XLogP3.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.61
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165633553
(1S)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165639952
1-(2-Chloro-thiazol-5-yl)-ethanol
CID 68056647
2-Methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole
CID 58450211
CID 58450266
CID 58450266
CID 58450284
CID 58450284
5-(2,2,2-Trifluoro-1-methoxyethyl)-1,3-thiazole
CID 58450293
2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole
CID 58450297
2-methyl-5-[(1R)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole
CID 58450301
1-(2-Bromothiazol-5-yl)-2,2,2-trifluoroethanol
CID 59466567
2,2,2-Trifluoro-1-(thiazol-5-yl)ethanol
CID 67130512
5-Thiazolemethanol, 2-chloro-alpha-(trifluoromethyl)-
CID 67401954

Frequently Asked Questions

What is the IUPAC name of CID 58450221?
The IUPAC name of CID 58450221 (CID 58450221) is not available.
What is the SMILES notation for CID 58450221?
The canonical SMILES for CID 58450221 is [CH]OC(c1cnc(Cl)s1)C(F)(F)F.
What is the InChIKey of CID 58450221?
The InChIKey is XEPWIEOPYCXYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NOS/c1-12-4(6(8,9)10)3-2-11-5(7)13-3/h1-2,4H.
What are the key properties of CID 58450221?
CID 58450221 has a molecular weight of 229.61 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450221 is sourced from PubChem (CID 58450221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).